Information card for entry 7215955

Structure parameters

• Formula: C10 H12 N2 O6 Zn
• Calculated formula: C10 H12 N2 O6 Zn
• Title of publication: Syntheses, X-ray structures, gas adsorption and luminescent properties of three coordination polymers of Zn(ii) dicarboxylates mixed with a linear, neutral, and rigid N,N′-donor ligand
• Authors of publication: Bhattacharya, Biswajit; Saha, Debraj; Maity, Dilip Kumar; Dey, Rajdip; Ghoshal, Debajyoti
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 4783
• a: 5.2333 ± 0.0001 Å
• b: 9.158 ± 0.0003 Å
• c: 14.8415 ± 0.0004 Å
• α: 84.191 ± 0.001°
• β: 85.964 ± 0.002°
• γ: 79.848 ± 0.001°
• Cell volume: 695.57 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No